data_2003194
_journal_name_full     'Acta Crystallographica'
_journal_volume    	C51
_journal_year         	1995
_journal_page_first    	183
_journal_page_last    	185
_publ_section_title    	
;
Strontium Dibromide Hexahydrate
;
loop_
_publ_author_name
'Isaac Abrahams'
'Elke Vordemvenne'
_chemical_formula_moiety    	?
_chemical_formula_sum    	'H12 Br2 O6 Sr'
_chemical_formula_structural    	'Sr Br2 , 6H2 O'
_chemical_formula_analytical    	?
_chemical_formula_weight    	355.54
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    'x, 1+y, -z'
    '-x, -x+y, -z'
    'x-y, -y, -z'
_symmetry_space_group_name_H-M    	'P 3 2 1'
_cell_length_a    	8.204(3)
_cell_length_b    	8.204(3)
_cell_length_c    	4.1590(10)
_cell_angle_alpha    	90.00
_cell_angle_beta    	90.00
_cell_angle_gamma    	120.00
_cell_volume    	242.42(14)
_cell_formula_units_Z    	1
_exptl_crystal_density_diffrn    	2.435
_exptl_crystal_density_meas    	?
_exptl_crystal_density_method    	?
_diffrn_radiation_type    	MoK\a
_diffrn_radiation_wavelength    	0.71069
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	10
_cell_measurement_theta_max    	14
_exptl_absorpt_coefficient_mu    	13.779
_cell_measurement_temperature    	291(2)
_exptl_crystal_description    	prism
_exptl_crystal_size_max    	0.40
_exptl_crystal_size_mid    	0.13
_exptl_crystal_size_min    	0.13
_exptl_crystal_colour    	white
_refine_ls_shift/esd_max    	0.530
_refine_diff_density_max    	0.478
_refine_diff_density_min    	-1.318
_refine_ls_extinction_method    	none
_refine_ls_extinction_coef    	?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_source
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    'Sr' 'Sr' 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' -1.5307 3.
    'Br' 'Br' 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' -0.2901 2.
    'H' 'H' 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 0.0000 0.000
    'O' 'O' 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 0.0106 0.006
_refine_ls_abs_structure_details    	'Flack H D (1983), Acta Cryst. A39, 876-881
_refine_ls_abs_structure_Flack    	-0.04(6)
loop_
    _atom_site_label
    _atom_site_occupancy
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    Sr 1 0.0000 0.0000 0.0000 0.0191(3)
    Br 1 0.3333 0.6667 -0.4405(2) 0.0330(4)
    O1 1 0.7874(8) 0.0000 0.5000 0.0282(14)
    O2 1 0.3112(9) 0.0000 0.0000 0.034(2)
    H1 1 0.0727(121) 0.3903(124) -0.1601(197) 0.024(20)
    H2 1 0.3152(140) 0.2360(158) 0.4588(329) 0.079(49)
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_22
    _atom_site_aniso_U_23
    _atom_site_aniso_U_33
    Sr 0.0200(4) 0.0100(2) 0.000 0.0200(4) 0.000 0.0174(5)
    Br 0.0282(4) 0.0141(2) 0.000 0.0282(4) 0.000 0.0427(8)
    O1 0.018(2) 0.012(2) 0.0020(15) 0.024(3) 0.004(3) 0.044(4)
    O2 0.027(3) 0.019(2) -0.003(2) 0.037(4) -0.006(4) 0.042(4)